MMsINC Database Search


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MMsINC code: MMs00197252

Type: Neutral
Formula: C₂₄H₂₀N₂O

SMILES:

O=C(Nc1ccccc1C)c1c2c(nc(-c3ccccc3)c1C)cccc2

InChI:

InChI=1/C24H20N2O/c1-16-10-6-8-14-20(16)26-24(27)22-17(2)23(18-11-4-3-5-12-18)25-21-15-9-7-13-19(21)22/h3-15H,1-2H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.207 kcal/mol

Physical Properties
Molecular Weight: 352.437 g/mol	logS: -6.65953	SlogP: 5.77094	Reactive groups: 0

Topological Properties
Globularity: 0.0853582	Sterimol/B1: 2.33513	Sterimol/B2: 3.40221	Sterimol/B3: 5.86727
Sterimol/B4: 9.10584	Sterimol/L: 16.8422

Surface and Volume Properties
Accessible surface: 620.953	Positive charged surface: 332.721	Negative charged surface: 280.2	Volume: 354.875
Hydrophobic surface: 577.827	Hydrophilic surface: 43.126

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.